KEGG   DRUG: Tiludronate disodium
Entry
D02285                      Drug                                   
Name
Tiludronate disodium (USAN);
Skelid (TN)
Formula
C7H7ClO6P2S. 2Na
Exact mass
361.8922
Mol weight
362.5719
Structure
Simcomp
Class
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
  DG01600  Bisphosphonate
Remark
ATC code: M05BA05
Chemical structure group: DG00784
Efficacy
Antiresorptive, Osteoporosis agent
Comment
Bisphosphonate
Osteoporosis treatment and prevention, Paget's disease treatment
Interaction
Structure map
map07047  Osteoporosis drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M05 DRUGS FOR TREATMENT OF BONE DISEASES
   M05B DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
    M05BA Bisphosphonates
     M05BA05 Tiludronic acid
      D02285  Tiludronate disodium (USAN)
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00784  Tiludronic acid
     D02285  Tiludronate disodium
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00784  Tiludronic acid
Other DBs
CAS: 149845-07-8
PubChem: 7849344
LigandBox: D02285
LinkDB
KCF data

ATOM        19
            1   Z   Na   17.8501  -25.5733 #+
            2   Z   Na   26.3350  -25.2721 #+
            3   C1c C    22.6100  -23.8700
            4   P1b P    23.8000  -24.5700
            5   P1b P    21.4200  -24.5700
            6   S2a S    22.6100  -22.5400
            7   C8y C    23.8000  -21.8400
            8   C8x C    24.9900  -22.5400
            9   C8x C    26.1800  -21.8400
            10  C8y C    26.1800  -20.4400
            11  C8x C    24.9900  -19.7400
            12  C8x C    23.8000  -20.4400
            13  X   Cl   27.3700  -19.7400
            14  O1c O    20.2300  -23.8700
            15  O1c O    21.4200  -25.9700
            16  O1c O    19.8800  -25.5500 #-
            17  O1c O    24.9900  -23.8700
            18  O1c O    23.8000  -25.9700
            19  O1c O    24.9900  -25.2700 #-
BOND        17
            1     3   4 1
            2     3   5 1
            3     3   6 1
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10    7  12 1
            11   10  13 1
            12    5  14 2
            13    5  15 1
            14    5  16 1
            15    4  17 2
            16    4  18 1
            17    4  19 1

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KEGG   DRUG: Tiludronic acid
Entry
D08599                      Drug                                   
Name
Tiludronic acid (INN)
Formula
C7H9ClO6P2S
Exact mass
317.9284
Mol weight
318.6083
Structure
Simcomp
Class
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
  DG01600  Bisphosphonate
Remark
Same as: C08141
ATC code: M05BA05
Chemical structure group: DG00784
Efficacy
Antiresorptive
Comment
Bisphosphonate
Interaction
Structure map
map07047  Osteoporosis drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M05 DRUGS FOR TREATMENT OF BONE DISEASES
   M05B DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
    M05BA Bisphosphonates
     M05BA05 Tiludronic acid
      D08599  Tiludronic acid (INN)
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00784  Tiludronic acid
     D08599  Tiludronic acid
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG00784  Tiludronic acid
Other DBs
CAS: 89987-06-4
PubChem: 96025283
ChEBI: 9598
LigandBox: D08599
LinkDB
KCF data

ATOM        17
            1   C1c C    24.4300  -24.0800
            2   P1b P    25.6424  -24.7800
            3   P1b P    23.2176  -24.7800
            4   S2a S    24.4300  -22.6800
            5   C8y C    25.6424  -21.9800
            6   C8x C    26.8379  -22.6704
            7   C8x C    28.0504  -21.9705
            8   C8y C    28.0506  -20.5705
            9   C8x C    26.8551  -19.8801
            10  C8x C    25.6426  -20.5800
            11  X   Cl   29.2734  -19.8646
            12  O1c O    22.0221  -24.0896
            13  O1c O    23.2175  -26.1798
            14  O1c O    21.6020  -25.7503
            15  O1c O    26.8379  -24.0896
            16  O1c O    25.6425  -26.1798
            17  O1c O    26.8380  -25.4703
BOND        17
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10    5  10 1
            11    8  11 1
            12    3  12 2
            13    3  13 1
            14    3  14 1
            15    2  15 2
            16    2  16 1
            17    2  17 1

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